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Found 2 swedish dissertations matching the above criteria.

2. 1. Structure and stability trends in the platinum metal-silicon systems

   Author : Kenneth Göransson; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; Chemistry; Transition metal silicides; electronic band structure; monosilicides; FeSi structure type; MnP structure type; Kemi; Chemistry; Kemi; Inorganic Chemistry; oorganisk kemi;

   Abstract : The stability of group 8-10 silicides has been studied by LMTO-ASA band structurecalculations. In the Rh-Si and Ir-Si systems the lowest calculated heat of formation isfound in compounds near the equiatomic composition. READ MORE

4. 2. Point defect interactions and structural stability of compounds

   Author : Vitaly Baykov; Börje Johansson; Peter Mohn; KTH; []
   Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; first principles; ab initio; density functional theory; point defects interactions; diluted magnetic semiconductors; structural stability; zirconium alloys; Other materials science; Övrig teknisk materialvetenskap;

   Abstract : Theoretical studies of point defect interactions and structural stability of compounds have been performed using density functional theory. The defect-related properties, such as activation energy of diffusion, electronic and magnetic structure of selected materials have been studied. READ MORE